ethyl 3-[[5-cyclopropyl-1-(5-methyl-4-thiophen-2-yl-pyrimidin-2-yl)pyrazol-4-yl]carbonylamino]propanoate

Systemtic Name: ethyl 3-[[5-cyclopropyl-1-(5-methyl-4-thiophen-2-yl-pyrimidin-2-yl)pyrazol-4-yl]carbonylamino]propanoate Openeye Name: ethyl 3-[[5-cyclopropyl-1-[5-methyl-4-(2-thienyl)pyrimidin-2-yl]pyrazole-4-carbonyl]amino]propanoate CAS Name: 3-[[[5-cyclopropyl-1-(5-methyl-4-thiophen-2-yl-2-pyrimidinyl)-4-pyrazolyl]-oxomethyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[5-cyclopropyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carbonyl]amino]propanoate Traditional Name: 3-[[5-cyclopropyl-1-[5-methyl-4-(2-thienyl)pyrimidin-2-yl]pyrazole-4-carbonyl]amino]propionic acid ethyl ester Formula: C21H23N5O3S MolecularWeight: 425.50402

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCNC(=O)C1=C(N(N=C1)C2=NC=C(C(=N2)C3=CC=CS3)C)C4CC4

Isomeric SMILES

CCOC(=O)CCNC(=O)C1=C(N(N=C1)C2=NC=C(C(=N2)C3=CC=CS3)C)C4CC4

InChI

InChI=1S/C21H23N5O3S/c1-3-29-17(27)8-9-22-20(28)15-12-24-26(19(15)14-6-7-14)21-23-11-13(2)18(25-21)16-5-4-10-30-16/h4-5,10-12,14H,3,6-9H2,1-2H3,(H,22,28)